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Benzoylpaeoniflorin - 10mM in DMSO, high purity , CAS No.38642-49-8
Basic Description
Synonyms | Benzoylpaeoniflorin | 38642-49-8 | CHEMBL4861111 | CHEBI:69583 | HMS3886L18 | MFCD00869479 | s9149 | AKOS037645102 | CCG-270143 | AC-34005 | AS-57134 | Q27137925 |
Specifications & Purity | 10mM in DMSO |
Storage Temp | Store at -80°C |
Shipped In | Ice chest + Ice pads |
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Associated Targets(Human)
Names and Identifiers
IUPAC Name | [(2R,3S,4S,5R,6S)-6-[[(1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate |
INCHI | InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1 |
InChi Key | LATYEZNGPQKAIK-HRCYFWENSA-N |
Canonical SMILES | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)COC(=O)C7=CC=CC=C7)O)O)O)O |
Isomeric SMILES | C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)O)O)O)O |
PubChem CID | 21631106 |
Molecular Weight | 584.57 |
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Chemical and Physical Properties
Refractive Index | 1.682 |
Flash Point(°C) | 243.1±26.4 °C |
Boil Point(°C) | 742.9±60.0 °C |
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